| Navigating structure–activity landscapes J Bajorath, L Peltason, M Wawer, R Guha, MS Lajiness, JH Van Drie Drug discovery today 14 (13-14), 698-705, 2009 | 185 | 2009 |
| Assessment of the consistency of medicinal chemists in reviewing sets of compounds MS Lajiness, GM Maggiora, V Shanmugasundaram Journal of medicinal chemistry 47 (20), 4891-4896, 2004 | 169 | 2004 |
| Molecular properties that influence oral drug-like behavior. MS Lajiness, M Vieth, J Erickson Current opinion in drug discovery & development 7 (4), 470-477, 2004 | 151 | 2004 |
| Approaches to virtual library design JH Van Drie, MS Lajiness Drug Discovery Today 3 (6), 274-283, 1998 | 126 | 1998 |
| Dissimilarity-based compound selection techniques MS Lajiness Perspectives in drug discovery and design 7, 65-84, 1996 | 111 | 1996 |
| Age-related changes in the immune system of mice of eight medium and long-lived strains and hybrids. I. Organ, cellular, and activity changes MMB Kay, J Mendoza, J Diven, T Denton, N Union, M Lajiness Mechanisms of ageing and development 11 (5-6), 295-346, 1979 | 102 | 1979 |
| Systems chemical biology and the Semantic Web: what they mean for the future of drug discovery research DJ Wild, Y Ding, AP Sheth, L Harland, EM Gifford, MS Lajiness Drug discovery today 17 (9-10), 469-474, 2012 | 79 | 2012 |
| Molecular similarity-based methods for selecting compounds for screening MS Lajiness Computational chemical graph theory, 299-316, 1990 | 77 | 1990 |
| Hit-directed nearest-neighbor searching V Shanmugasundaram, GM Maggiora, MS Lajiness Journal of medicinal chemistry 48 (1), 240-248, 2005 | 68 | 2005 |
| Enhancement of binary QSAR analysis by a GA-based variable selection method H Gao, MS Lajiness, J Van Drie Journal of Molecular Graphics and Modelling 20 (4), 259-268, 2002 | 67 | 2002 |
| Implementing drug screening programs using molecular similarity methods. MS Lajiness, MA Johnson, GM Maggiora Progress in Clinical and Biological Research 291, 173-176, 1989 | 67 | 1989 |
| Molecular similarity: a basis for designing drug screening programs M Johnson, M Lajiness, G Maggiora Progress in clinical and biological research 291, 167-171, 1989 | 63 | 1989 |
| Four association coefficients for relating molecular similarity measures Cheng, G Maggiora, M Lajiness, M Johnson Journal of chemical information and computer sciences 36 (4), 909-915, 1996 | 48 | 1996 |
| WENDI: a tool for finding non-obvious relationships between compounds and biological properties, genes, diseases and scholarly publications Q Zhu, MS Lajiness, Y Ding, DJ Wild Journal of cheminformatics 2, 1-9, 2010 | 40 | 2010 |
| Evaluation of the performance of dissimilarity selection methodology M Lajiness QSAR: Rational approaches to the design of bioactive compounds, 201-204, 1991 | 40 | 1991 |
| Dissimilarity-based approaches to compound acquisition M Lajiness, I Watson Current opinion in chemical biology 12 (3), 366-371, 2008 | 30 | 2008 |
| Semantic inference using chemogenomics data for drug discovery Q Zhu, Y Sun, S Challa, Y Ding, MS Lajiness, DJ Wild BMC bioinformatics 12, 1-12, 2011 | 24 | 2011 |
| A practical strategy for directed compound acquisition GM Maggiora, V Shanmugasundaram, MS Lajiness, TN Doman, ... Chemoinformatics in Drug Discovery 23, 317-332, 2005 | 24 | 2005 |
| In SQAR: Rational Approaches to the Design of Bioactive Compounds; Silipo, C.; Vittoria, A., Eds MS Lajiness Elsevier: Amsterdam, 1991 | 14 | 1991 |
| Capturing chemical information in an extended relational database system TR Hagadone, MS Lajiness Tetrahedron Computer Methodology 1 (3), 219-230, 1988 | 12 | 1988 |
